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返回ChemicalBook首頁>CAS數(shù)據(jù)庫列表>99-81-0更多圖譜> 2-溴-4'-硝基苯乙酮(99-81-0)紅外圖譜(IR1)

99-81-0

2-溴-4'-硝基苯乙酮(99-81-0)紅外圖譜(IR1)

產(chǎn)品名稱:2-溴-4'-硝基苯乙酮

CAS:99-81-0

分子式:C8H6BrNO3

分子量: 244.04

InChI:InChI=1S/C8H6BrNO3/c9-5-8(11)6-1-3-7(4-2-6)10(12)13/h1-4H,5H2

InChIKey: MBUPVGIGAMCMBT-UHFFFAOYSA-N

Smiles:C(=O)(C1=CC=C([N+]([O-])=O)C=C1)CBr

  • 圖譜
    Mass 

    MS-IW-0092          
2-bromo-4'-nitroacetophenone
C8H6BrNO3           (Mass of molecular ion:    243)


       Source Temperature: 180 °C
   Sample Temperature: 110 °C
   Direct, 75 eV


          18.0       1.3
      30.0       2.0
      42.0       1.4
      50.0       5.2
      51.0       1.1
      63.0       1.8
      64.0       1.7
      74.0       1.9
      75.0       3.3
      76.0       7.6
      78.0       1.3
      89.0       2.8
      90.0       2.0
      92.0       5.3
     104.0      17.5
     105.0       1.4
     120.0       7.4
     134.0       1.6
     150.0     100.0
     151.0       8.2
     243.0       2.0
     245.0       1.9

400 MHz in CDCl3

  • 圖譜

    1H NMR 399.65 MHz
    C8 H6 Br N O3 0.033 g : 0.5 ml CDCl3
    2-bromo-4'-nitroacetophenone
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             8.354
      B             8.173
      C             4.482
  

         Hz     ppm     Int.


       3346.07   8.373     44
   3343.87   8.367    267
   3341.80   8.362     97
   3336.91   8.350    112
   3334.72   8.345    338
   3332.64   8.339     54
   3272.83   8.190     59
   3270.75   8.185    340
   3268.55   8.179    110
   3263.67   8.167    100
   3261.60   8.162    277
   3259.40   8.156     39
   1791.26   4.483   1000

in CDCl3

  • 圖譜

KBr disc

  • 圖譜

nujol mull

  • 圖譜

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